| Identification | More | [Name]
ACETONE-D6 | [CAS]
666-52-4 | [Synonyms]
ACETONE-D6
DEUTEROACETONE
HEXADEUTEROACETONE
(2H6)Propan-2-one
(CD3)2CO
1,1,1,3,3,3-hexadeuterio-propan-2-one
2-Propanone-1,1,1,3,3,3-d6
2-Propanone-1,1,1,3,3,3-D6-
Aceton-d6
Acetone, perdeutero-
Perdeuteroacetone
Acetone-d6
(2H6)acetone
ACETONE-D6, 99.5 ATOM % D (1PK=5 X 0.5ML )
ACETONE-D(6) >99.5 (ATOM % D)
ACETONE-D6, 99.5 ATOM % D (CONTAINS 0.1% V/V TMS
ACETONE-D6, 99.5 ATOM % D (1PK=10 X 1ML)
ACETONE-D6, 99.5 ATOM % D (CONTAINS 1% V/V TMS)
"ACETONE-D6, 99.9 ATOM % D (CONTAINS 1%V/V TMS, 1 PKG = 10 X 1ML)
ACETONE-D6 DEUTERATION DEGREE MIN. 99,8 ATOM % D | [EINECS(EC#)]
211-563-9 | [Molecular Formula]
C3D6O | [MDL Number]
MFCD00044635 | [Molecular Weight]
64.12 | [MOL File]
666-52-4.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [Melting point ]
−93.8 °C(lit.)
| [Boiling point ]
55.5 °C(lit.)
| [density ]
0.872 g/mL at 25 °C(lit.)
| [vapor density ]
2 (vs air)
| [vapor pressure ]
14.39 psi ( 55 °C)
| [refractive index ]
n20/D 1.355(lit.)
| [Fp ]
1 °F
| [storage temp. ]
Flammables area | [form ]
Liquid In Prescored Ampoules, (0.75Ml/ampoule) | [color ]
Colorless | [Specific Gravity]
0.872 | [PH]
5-6 (365g/l, H2O) | [Stability:]
Stable. Highly flammable. Readily forms explosive mixtures with air. Note low flashpoint and wide explosion limits. Incompatible with bases, oxidising agents, strong acids, reducing agents. Protect from moisture. | [explosive limit]
2.6-12.8%(V) | [Water Solubility ]
Soluble in water. | [Detection Methods]
NMR | [BRN ]
1702935 | [InChI]
1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3 | [InChIKey]
CSCPPACGZOOCGX-WFGJKAKNSA-N | [SMILES]
[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H] | [CAS DataBase Reference]
666-52-4(CAS DataBase Reference) | [Storage Precautions]
Store under nitrogen;Moisture sensitive | [EPA Substance Registry System]
Acetone-d6 (666-52-4) |
| Questions And Answer | Back Directory | [Preparation]
Deuterated DMSO: DMSO is exchanged with heavy water in the presence of an alkaline catalyst (calcium oxide) to obtain DMSO-d6. This process needs to be repeated multiple times to obtain high-purity deuterated DMSO;
ACETONE-D6: Acetone is exchanged with heavy water in the presence of an alkaline catalyst (LiOD) to obtain ACETONE-D6;
Deuterated benzene: Benzene is exchanged with heavy water in the presence of a transition metal catalyst to obtain deuterated benzene;
Deuterated tetrahydrofuran: Tetrahydrofuran is obtained by... It is prepared by exchanging heavy water under metal catalysis;
Deuterated sodium hydroxide or deuterated potassium hydroxide can be prepared by reacting elemental metals with heavy water;
Deuterium gas: Deuterium gas can be prepared by electrolyzing deuterated water;
Lithium deuteride can be prepared by reacting metallic lithium with deuterium gas;
Similarly, sodium deuteride can be synthesized by reacting metallic sodium with deuterium gas;
With lithium deuteride, lithium aluminum deuteride is readily available. Deuterated lithium aluminum tetrahydrogen (lithium aluminum deuteride, LiAlD4) can be prepared by reacting lithium deuteride (LiD) with aluminum chloride. |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H225-H319-H336 | [Precautionary statements ]
P210-P233-P240-P241-P242-P305+P351+P338 | [Hazard Codes ]
F,Xi | [Risk Statements ]
R11:Highly Flammable.
R36:Irritating to the eyes.
R66:Repeated exposure may cause skin dryness or cracking.
R67:Vapors may cause drowsiness and dizziness. | [Safety Statements ]
S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S33:Take precautionary measures against static discharges .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . | [RIDADR ]
UN 1090 3/PG 2
| [WGK Germany ]
3
| [F ]
10-21 | [Autoignition Temperature]
465 °C DIN 51794 | [HazardClass ]
3 | [PackingGroup ]
II | [HS Code ]
28459000 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Eye Irrit. 2
Flam. Liq. 2
STOT SE 3 | [Toxicity]
LD50 orally in Rabbit: 5800 mg/kg LD50 dermal Rabbit 20000 mg/kg |
| Hazard Information | Back Directory | [Chemical Properties]
colourless liquid | [Uses]
Isotope labelled Acetone is a common organic building block in organic chemistry. | [Definition]
ChEBI: A deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium. | [General Description]
Acetone-d6 can be prepared by reacting heavy water with propyne-d4 in the presence of mercury catalyst. |
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